甲基2 - 氨基 - 4 - ...... 吗啡 - 4 - ) [d] 硫 - 6 - 碳素酸盐四水合物
Erik Uran1,2, Andrej Emanuel Cotman3, Matic Lozinšek1,2
1Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana, Slovenia.
IUCrData
|February 10, 2025
概括
这项研究详细介绍了一种新型化合物的晶体结构,C13H15N3O3S·0.25H2O. 这项研究揭示了由和素键组成的复杂3D网络.
科学领域:
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
- 化学物理 化学物理
背景情况:
- 了解分子排列和分子间相互作用对于预测材料特性至关重要.
- 标题化合物的化学公式是C13H15N3O3S·0.25H2O.
研究的目的:
- 为了阐明标题化合物的晶体结构.
- 识别和分析晶格中存在的分子间相互作用.
主要方法:
- 使用单晶X射线衍射来确定晶体结构.
- 对晶体结构的分析涉及识别键和键.
主要成果:
- 该化合物在三临床空间组P1.1中结晶.
- 四个有机分子和一个水分子构成了不对称的单位.
- 扩展的晶体结构的特点是由O-HO,N-HO,N-HN气键和C-SO碳酸键组成的复杂的三维网络.
结论:
- 标题化合物的详细晶体结构和分子间相互作用已经确定.
- 已识别的和素键的网络决定了该化合物的固态结构.
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